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YuqingHe's Projects

abinit icon abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

abipy icon abipy

Open-source library for analyzing the results produced by ABINIT

jupyter-jsmol icon jupyter-jsmol

This is JSmol viewer widget for Jupyter Notebooks and JupyterLab

poscar2xsf icon poscar2xsf

Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

scripts icon scripts

Repository to hold shell scripts (Bash and Python)

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